3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide

C11H13N3O2 — CID 61276265

IUPAC3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCc1nc2cc(NC(=O)CCN)ccc2o1
InChIInChI=1S/C11H13N3O2/c1-7-13-9-6-8(2-3-10(9)16-7)14-11(15)4-5-12/h2-3,6H,4-5,12H2,1H3,(H,14,15)
InChIKeyOEPYKJABQAXYFG-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.42
Rot. Bonds3

About 3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide

3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 61276265) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
PubChem CID61276265
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCc1nc2cc(NC(=O)CCN)ccc2o1
InChIInChI=1S/C11H13N3O2/c1-7-13-9-6-8(2-3-10(9)16-7)14-11(15)4-5-12/h2-3,6H,4-5,12H2,1H3,(H,14,15)
InChIKeyOEPYKJABQAXYFG-UHFFFAOYSA-N
XLogP1.42
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
4-chloro-N-[4-[(2-methyl-1,3-benzoxazol-5-yl)amino]-4-oxobutyl]benzamide
CID 37040476
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604979
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide
CID 110390639
2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 34303569
ethyl N-methyl-N-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]carbamate
CID 47051874
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361
3-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 60572554
N-[4-[(2-methyl-1,3-benzoxazol-5-yl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 35626706
2-(2-methoxyphenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 25466884
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 26715751

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide (CID 61276265) is 3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide is Cc1nc2cc(NC(=O)CCN)ccc2o1.
What is the InChIKey of 3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is OEPYKJABQAXYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7-13-9-6-8(2-3-10(9)16-7)14-11(15)4-5-12/h2-3,6H,4-5,12H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 219.24 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 61276265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).